CID 130606333

1864182-60-4

Structural Information

Molecular Formula
C6H10BrN3O2S
SMILES
CN(CN1C=C(C=N1)Br)S(=O)(=O)C
InChI
InChI=1S/C6H10BrN3O2S/c1-9(13(2,11)12)5-10-4-6(7)3-8-10/h3-4H,5H2,1-2H3
InChIKey
ICHVHPUWSNDNDL-UHFFFAOYSA-N
Compound name
N-[(4-bromopyrazol-1-yl)methyl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9677 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.97498 139.9
[M+Na]+ 289.95692 153.4
[M-H]- 265.96042 146.0
[M+NH4]+ 285.00152 160.6
[M+K]+ 305.93086 143.3
[M+H-H2O]+ 249.96496 139.3
[M+HCOO]- 311.96590 157.2
[M+CH3COO]- 325.98155 193.4
[M+Na-2H]- 287.94237 145.7
[M]+ 266.96715 162.8
[M]- 266.96825 162.8
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.