CID 71428046

917923-88-7

Structural Information

Molecular Formula
C12H6BrF7N2
SMILES
C1=CC2=C(C(=CC(=C2N)Br)C(C(F)(F)F)(C(F)(F)F)F)N=C1
InChI
InChI=1S/C12H6BrF7N2/c13-7-4-6(9-5(8(7)21)2-1-3-22-9)10(14,11(15,16)17)12(18,19)20/h1-4H,21H2
InChIKey
HKAMSGFEDWXJSR-UHFFFAOYSA-N
Compound name
6-bromo-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

389.96027 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.96755 185.2
[M+Na]+ 412.94949 198.7
[M-H]- 388.95299 182.7
[M+NH4]+ 407.99409 199.9
[M+K]+ 428.92343 184.4
[M+H-H2O]+ 372.95753 179.1
[M+HCOO]- 434.95847 193.2
[M+CH3COO]- 448.97412 215.9
[M+Na-2H]- 410.93494 189.7
[M]+ 389.95972 192.9
[M]- 389.96082 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe