CID 23298

Hsdb 6151

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CC(C(C)Cl)N=O
InChI
InChI=1S/C4H8ClNO/c1-3(5)4(2)6-7/h3-4H,1-2H3
InChIKey
DGBNMQGFLFTDIK-UHFFFAOYSA-N
Compound name
2-chloro-3-nitrosobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

121.02944 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.036716 121.0
[M+Na]+ 144.018658 129.2
[M-H]- 120.022164 123.1
[M+NH4]+ 139.063263 144.7
[M+K]+ 159.992598 129.0
[M+H-H2O]+ 104.026700 117.5
[M+HCOO]- 166.027641 141.9
[M+CH3COO]- 180.043291 175.3
[M+Na-2H]- 142.004106 127.0
[M]+ 121.02889142 123.9
[M]- 121.02998858 123.9
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