CID 165950872

2-bromo-3,4-difluoro-n-methylaniline

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
CNC1=C(C(=C(C=C1)F)F)Br
InChI
InChI=1S/C7H6BrF2N/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3,11H,1H3
InChIKey
VPJQFVXGQZCJCC-UHFFFAOYSA-N
Compound name
2-bromo-3,4-difluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.96516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 136.1
[M+Na]+ 243.95438 149.3
[M-H]- 219.95788 140.7
[M+NH4]+ 238.99898 158.3
[M+K]+ 259.92832 137.6
[M+H-H2O]+ 203.96242 134.6
[M+HCOO]- 265.96336 157.5
[M+CH3COO]- 279.97901 189.1
[M+Na-2H]- 241.93983 143.1
[M]+ 220.96461 151.9
[M]- 220.96571 151.9
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.