CID 28946541

1152536-78-1

Structural Information

Molecular Formula
C12H12ClFN2
SMILES
CC1=CC(=NN1C2=C(C=C(C=C2)CCl)F)C
InChI
InChI=1S/C12H12ClFN2/c1-8-5-9(2)16(15-8)12-4-3-10(7-13)6-11(12)14/h3-6H,7H2,1-2H3
InChIKey
WVTDVYYZTPGZKE-UHFFFAOYSA-N
Compound name
1-[4-(chloromethyl)-2-fluorophenyl]-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07458 149.5
[M+Na]+ 261.05652 161.5
[M-H]- 237.06002 152.9
[M+NH4]+ 256.10112 167.9
[M+K]+ 277.03046 155.7
[M+H-H2O]+ 221.06456 141.3
[M+HCOO]- 283.06550 166.9
[M+CH3COO]- 297.08115 192.3
[M+Na-2H]- 259.04197 152.0
[M]+ 238.06675 152.1
[M]- 238.06785 152.1
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.