CID 13355505

56339-99-2

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
CC(=O)C1=CC(=C(C(=C1)Cl)N)F
InChI
InChI=1S/C8H7ClFNO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
InChIKey
KVTOOEQSGVGZEB-UHFFFAOYSA-N
Compound name
1-(4-amino-3-chloro-5-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.02002 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02730 133.5
[M+Na]+ 210.00924 144.2
[M-H]- 186.01274 136.3
[M+NH4]+ 205.05384 154.2
[M+K]+ 225.98318 140.0
[M+H-H2O]+ 170.01728 128.5
[M+HCOO]- 232.01822 152.6
[M+CH3COO]- 246.03387 184.4
[M+Na-2H]- 207.99469 137.1
[M]+ 187.01947 133.4
[M]- 187.02057 133.4
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