CID 21533729

2-chloro-5-(difluoromethyl)aniline

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
C1=CC(=C(C=C1C(F)F)N)Cl
InChI
InChI=1S/C7H6ClF2N/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,7H,11H2
InChIKey
XNOKRCUPTFRUTN-UHFFFAOYSA-N
Compound name
2-chloro-5-(difluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

177.01569 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022966 129.6
[M+Na]+ 200.004908 139.6
[M-H]- 176.008414 130.7
[M+NH4]+ 195.049513 150.5
[M+K]+ 215.978848 135.3
[M+H-H2O]+ 160.012950 123.6
[M+HCOO]- 222.013891 147.6
[M+CH3COO]- 236.029541 181.8
[M+Na-2H]- 197.990356 133.9
[M]+ 177.01514142 126.9
[M]- 177.01623858 126.9
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