CID 67800705

2-chloro-4,5-difluoro-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
CNC1=CC(=C(C=C1Cl)F)F
InChI
InChI=1S/C7H6ClF2N/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3,11H,1H3
InChIKey
XPOOKQWADHVCLW-UHFFFAOYSA-N
Compound name
2-chloro-4,5-difluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.01569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02297 128.6
[M+Na]+ 200.00491 139.7
[M-H]- 176.00841 130.4
[M+NH4]+ 195.04951 150.1
[M+K]+ 215.97885 135.4
[M+H-H2O]+ 160.01295 122.7
[M+HCOO]- 222.01389 148.2
[M+CH3COO]- 236.02954 182.8
[M+Na-2H]- 197.99036 134.5
[M]+ 177.01514 127.9
[M]- 177.01624 127.9
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

patents stripe