CID 688241

116272-78-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe