CID 233452

5-chloro-6-nitrosobicyclo(2.2.1)hept-2-ene

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1C2C=CC1C(C2N=O)Cl
InChI
InChI=1S/C7H8ClNO/c8-6-4-1-2-5(3-4)7(6)9-10/h1-2,4-7H,3H2
InChIKey
OMCKTTAXCXTOCT-UHFFFAOYSA-N
Compound name
5-chloro-6-nitrosobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.02943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 131.8
[M+Na]+ 180.01865 142.1
[M-H]- 156.02215 136.6
[M+NH4]+ 175.06325 159.4
[M+K]+ 195.99259 139.2
[M+H-H2O]+ 140.02669 128.2
[M+HCOO]- 202.02763 153.4
[M+CH3COO]- 216.04328 179.8
[M+Na-2H]- 178.00410 137.1
[M]+ 157.02888 134.7
[M]- 157.02998 134.7
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

No patent data available for this compound.