CID 9937619

Pd-184161

Structural Information

Molecular Formula
C17H13BrClF2IN2O2
SMILES
C1CC1CONC(=O)C2=CC(=C(C(=C2NC3=C(C=C(C=C3)I)Cl)F)F)Br
InChI
InChI=1S/C17H13BrClF2IN2O2/c18-11-6-10(17(25)24-26-7-8-1-2-8)16(15(21)14(11)20)23-13-4-3-9(22)5-12(13)19/h3-6,8,23H,1-2,7H2,(H,24,25)
InChIKey
VJNZMSLGVUSPCF-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

235
Patents

555.88617 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.89345 193.0
[M+Na]+ 578.87539 199.2
[M-H]- 554.87889 196.0
[M+NH4]+ 573.91999 198.3
[M+K]+ 594.84933 189.6
[M+H-H2O]+ 538.88343 185.7
[M+HCOO]- 600.88437 204.6
[M+CH3COO]- 614.90002 235.2
[M+Na-2H]- 576.86084 183.8
[M]+ 555.88562 210.3
[M]- 555.88672 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe