CID 12248302

73901-67-4

Structural Information

Molecular Formula
C4H5ClN2
SMILES
C1=CN(N=C1)CCl
InChI
InChI=1S/C4H5ClN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
InChIKey
HBSKKAUPEAYDNB-UHFFFAOYSA-N
Compound name
1-(chloromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

116.01413 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02141 117.8
[M+Na]+ 139.00335 131.0
[M+NH4]+ 134.04795 127.0
[M+K]+ 154.97729 126.0
[M-H]- 115.00685 118.6
[M+Na-2H]- 136.98880 125.1
[M]+ 116.01358 120.1
[M]- 116.01468 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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