CID 6918454

212631-79-3

Structural Information

Molecular Formula
C17H14ClF2IN2O2
SMILES
C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
InChI
InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
InChIKey
GFMMXOIFOQCCGU-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

221
References

6116
Patents

477.97565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.98293 181.6
[M+Na]+ 500.96487 184.4
[M-H]- 476.96837 182.2
[M+NH4]+ 496.00947 185.6
[M+K]+ 516.93881 183.1
[M+H-H2O]+ 460.97291 169.0
[M+HCOO]- 522.97385 195.5
[M+CH3COO]- 536.98950 228.0
[M+Na-2H]- 498.95032 171.8
[M]+ 477.97510 182.3
[M]- 477.97620 182.3
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