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]+ 221.972436 138.4
[M+Na]+ 243.954378 150.3
[M-H]- 219.957884 142.1
[M+NH4]+ 238.998983 159.9
[M+K]+ 259.928318 138.6
[M+H-H2O]+ 203.962420 136.7
[M+HCOO]- 265.963361 158.2
[M+CH3COO]- 279.979011 188.2
[M+Na-2H]- 241.939826 143.6
[M]+ 220.96461142 152.2
[M]- 220.96570858 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.