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

13
Patents

121.02944 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 121.0
[M+Na]+ 144.01866 129.2
[M-H]- 120.02216 123.1
[M+NH4]+ 139.06326 144.7
[M+K]+ 159.99260 129.0
[M+H-H2O]+ 104.02670 117.5
[M+HCOO]- 166.02764 141.9
[M+CH3COO]- 180.04329 175.3
[M+Na-2H]- 142.00411 127.0
[M]+ 121.02889 123.9
[M]- 121.02999 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