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]+ 221.972436 136.1
[M+Na]+ 243.954378 149.3
[M-H]- 219.957884 140.7
[M+NH4]+ 238.998983 158.3
[M+K]+ 259.928318 137.6
[M+H-H2O]+ 203.962420 134.6
[M+HCOO]- 265.963361 157.5
[M+CH3COO]- 279.979011 189.1
[M+Na-2H]- 241.939826 143.1
[M]+ 220.96461142 151.9
[M]- 220.96570858 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.