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

58
Patents

163.00003 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00731 124.5
[M+Na]+ 185.98925 136.0
[M-H]- 161.99275 126.0
[M+NH4]+ 181.03385 146.2
[M+K]+ 201.96319 131.6
[M+H-H2O]+ 145.99729 118.8
[M+HCOO]- 207.99823 143.7
[M+CH3COO]- 222.01388 179.1
[M+Na-2H]- 183.97470 129.8
[M]+ 162.99948 122.4
[M]- 163.00058 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