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]+ 178.022966 128.6
[M+Na]+ 200.004908 139.7
[M-H]- 176.008414 130.4
[M+NH4]+ 195.049513 150.1
[M+K]+ 215.978848 135.4
[M+H-H2O]+ 160.012950 122.7
[M+HCOO]- 222.013891 148.2
[M+CH3COO]- 236.029541 182.8
[M+Na-2H]- 197.990356 134.5
[M]+ 177.01514142 127.9
[M]- 177.01623858 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