CID 114488521

1818292-87-3

Structural Information

Molecular Formula
C8H5ClFNO2
SMILES
C1=CC(=C(C(=C1)Cl)F)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H5ClFNO2/c9-7-3-1-2-6(8(7)10)4-5-11(12)13/h1-5H/b5-4+
InChIKey
BSMXUUQWSKXVJY-SNAWJCMRSA-N
Compound name
1-chloro-2-fluoro-3-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.99928 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00656 136.5
[M+Na]+ 223.98850 146.0
[M-H]- 199.99200 139.1
[M+NH4]+ 219.03310 156.0
[M+K]+ 239.96244 137.8
[M+H-H2O]+ 183.99654 136.0
[M+HCOO]- 245.99748 157.2
[M+CH3COO]- 260.01313 176.8
[M+Na-2H]- 221.97395 143.4
[M]+ 200.99873 136.0
[M]- 200.99983 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe