CID 44203081

4-chloro-2,3-difluoroaniline

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
C1=CC(=C(C(=C1N)F)F)Cl
InChI
InChI=1S/C6H4ClF2N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
InChIKey
KLAJZEMLYSDWNR-UHFFFAOYSA-N
Compound name
4-chloro-2,3-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

163.00003 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.007306 124.5
[M+Na]+ 185.989248 136.0
[M-H]- 161.992754 126.0
[M+NH4]+ 181.033853 146.2
[M+K]+ 201.963188 131.6
[M+H-H2O]+ 145.997290 118.8
[M+HCOO]- 207.998231 143.7
[M+CH3COO]- 222.013881 179.1
[M+Na-2H]- 183.974696 129.8
[M]+ 162.99948142 122.4
[M]- 163.00057858 122.4
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