CID 135617131

Einecs 282-440-5

Structural Information

Molecular Formula
C5H6ClNO4
SMILES
COC(=O)/C(=C(\CCl)/O)/N=O
InChI
InChI=1S/C5H6ClNO4/c1-11-5(9)4(7-10)3(8)2-6/h8H,2H2,1H3/b4-3-
InChIKey
SDPGNNNRPMYPQH-ARJAWSKDSA-N
Compound name
methyl (Z)-4-chloro-3-hydroxy-2-nitrosobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.99854 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00582 131.2
[M+Na]+ 201.98776 139.0
[M-H]- 177.99126 131.9
[M+NH4]+ 197.03236 151.6
[M+K]+ 217.96170 138.3
[M+H-H2O]+ 161.99580 127.5
[M+HCOO]- 223.99674 150.6
[M+CH3COO]- 238.01239 179.4
[M+Na-2H]- 199.97321 135.1
[M]+ 178.99799 134.8
[M]- 178.99909 134.8
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