CID 75480365

5-bromo-2-(difluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
C1=CC(=C(C=C1Br)N)C(F)F
InChI
InChI=1S/C7H6BrF2N/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,7H,11H2
InChIKey
DXSZEAHQDBGQSF-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.96516 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 138.4
[M+Na]+ 243.95438 150.3
[M-H]- 219.95788 142.1
[M+NH4]+ 238.99898 159.9
[M+K]+ 259.92832 138.6
[M+H-H2O]+ 203.96242 136.7
[M+HCOO]- 265.96336 158.2
[M+CH3COO]- 279.97901 188.2
[M+Na-2H]- 241.93983 143.6
[M]+ 220.96461 152.2
[M]- 220.96571 152.2
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

No patent data available for this compound.